3Q0W

ETHR From mycobacterium tuberculosis in complex with compound BDM33066

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	HTH-type transcriptional regulator EthR	polymer	236	25953.1	1	UniProt (P96222) Pfam (PF00440) Pfam (PF21313) UniProt (by SIFTS) (P9WMC1)	Mycobacterium tuberculosis
2	B (A)	(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one	non-polymer		334.4	1	Chemie (LL5)
3	C (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	D (A)	water	water		18.0	114	Chemie (HOH)

Sequence modifications

A: 1 - 216 (UniProt: P96222)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	25953.1
Non-Polymers*	Number of molecules	2
	Total formula weight	426.5
All*	Total formula weight	26379.6

*Water molecules are not included.